N-{(7S,8aS)-2-[(4-methoxy-3-methylphenyl)methyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Chemical Structure Depiction of
N-{(7S,8aS)-2-[(4-methoxy-3-methylphenyl)methyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
N-{(7S,8aS)-2-[(4-methoxy-3-methylphenyl)methyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Compound characteristics
| Compound ID: | S974-1999 |
| Compound Name: | N-{(7S,8aS)-2-[(4-methoxy-3-methylphenyl)methyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide |
| Molecular Weight: | 331.41 |
| Molecular Formula: | C18 H25 N3 O3 |
| Smiles: | CC(N[C@H]1C[C@H]2CN(CC(N2C1)=O)Cc1ccc(c(C)c1)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6581 |
| logD: | 0.5919 |
| logSw: | -2.0339 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.574 |
| InChI Key: | QKYOPVDEMSKHDE-CVEARBPZSA-N |